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Interfaces in PDB 2g71 crystal.
Space symmetry group: P 43 21 2. Resolution: 2.20 Å

STRUCTURE OF HPNMT WITH INHIBITOR 3-FLUOROMETHYL-7-TRIFLUOROPROPYL- THIQ AND ADOHCY

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
1	`1`		B	`74`	`19`	`10808`	`◊`	A	y,x,-z	`7_555`	`58`	`20`	`10490`	`558.2`	`3.1`	`0.907`	`9`	`3`	`0`	`0.000`
2	`2`		B	`54`	`18`	`10808`	`◊`	A	x,y,z	`1_555`	`50`	`14`	`10490`	`522.1`	`-14.2`	`0.005`	`7`	`0`	`2`	`1.000`
3	`3`		B	`49`	`16`	`10808`	`◊`	A	-y+1/2,x+1/2,z-1/4	`3_554`	`53`	`18`	`10490`	`492.8`	`-3.8`	`0.390`	`6`	`5`	`0`	`0.000`
4	`4`		[FTS]A:3001	`22`	`1`	`507`	`f`	A	x,y,z	`1_555`	`57`	`22`	`10490`	`341.6`	`8.9`	`0.525`	`5`	`0`	`0`	`0.000`
	`5`		[FTS]B:3002	`22`	`1`	`505`	`f`	B	x,y,z	`1_555`	`52`	`21`	`10808`	`339.2`	`10.6`	`0.667`	`4`	`0`	`0`	`0.000`
	*Average:*													`340.4`	`9.7`	`0.596`	`5`	`0`	`0`	`0.000`
5	`6`		B	`39`	`12`	`10808`	`◊`	B	-y+1,-x+1,-z-1/2	`8_664`	`39`	`12`	`10808`	`307.4`	`-4.0`	`0.308`	`0`	`6`	`0`	`0.000`
6	`7`		[GOL]B:2647	`5`	`1`	`219`	`f`	B	x,y,z	`1_555`	`19`	`9`	`10808`	`114.7`	`-1.2`	`0.407`	`1`	`0`	`0`	`0.147`
7	`8`		B	`7`	`3`	`10808`	`x`	B	-x+1/2,y-1/2,-z-1/4	`5_544`	`7`	`3`	`10808`	`72.0`	`-1.0`	`0.338`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]

Protein Data Bank
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